(1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

C12H13ClN2S — CID 81377691

IUPAC(1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1nccs1)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2S/c1-9(10-4-2-3-5-11(10)13)15-8-12-14-6-7-16-12/h2-7,9,15H,8H2,1H3/t9-/m0/s1
InChIKeyRUZKLDHMSIDPGK-VIFPVBQESA-N
MW252.77 g/mol
LogP3.65
Rot. Bonds4

About (1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine

(1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (PubChem CID 81377691) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is (1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
PubChem CID81377691
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name(1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1nccs1)c1ccccc1Cl
InChIInChI=1S/C12H13ClN2S/c1-9(10-4-2-3-5-11(10)13)15-8-12-14-6-7-16-12/h2-7,9,15H,8H2,1H3/t9-/m0/s1
InChIKeyRUZKLDHMSIDPGK-VIFPVBQESA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81397203
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359
1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618
(1S)-1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81378017
(1R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377100
(1S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(2-chlorophenyl)ethanamine
CID 29054834
1-(5-fluoro-2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 63001482
1-(2,4-dimethylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285816
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262
1-(2-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883561
1-(2-bromo-4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103778187
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine (CID 81377691) is (1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is C[C@H](NCc1nccs1)c1ccccc1Cl.
What is the InChIKey of (1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
The InChIKey is RUZKLDHMSIDPGK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-9(10-4-2-3-5-11(10)13)15-8-12-14-6-7-16-12/h2-7,9,15H,8H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine?
(1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine has a molecular weight of 252.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine is sourced from PubChem (CID 81377691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).